4-[2-[(3E)-2-oxidanylidene-1-pentyl-3-[(phenylmethyl)carbamothioylhydrazinylidene]indol-5-yl]sulfanylethyl]benzoic acid

Systemtic Name: 4-[2-[(3E)-2-oxidanylidene-1-pentyl-3-[(phenylmethyl)carbamothioylhydrazinylidene]indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3E)-3-(benzylcarbamothioylhydrazono)-2-oxo-1-pentyl-indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3E)-2-oxo-1-pentyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3E)-3-(benzylcarbamothioylhydrazinylidene)-2-oxo-1-pentylindol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3E)-1-amyl-3-(benzylthiocarbamoylhydrazono)-2-keto-indolin-5-yl]thio]ethyl]benzoic acid Formula: C30H32N4O3S2 MolecularWeight: 560.73008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=S)NCC4=CC=CC=C4)C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N\NC(=S)NCC4=CC=CC=C4)/C1=O

InChI

InChI=1S/C30H32N4O3S2/c1-2-3-7-17-34-26-15-14-24(39-18-16-21-10-12-23(13-11-21)29(36)37)19-25(26)27(28(34)35)32-33-30(38)31-20-22-8-5-4-6-9-22/h4-6,8-15,19H,2-3,7,16-18,20H2,1H3,(H,36,37)(H2,31,33,38)/b32-27+